[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)C2=C(C=CC(=C2OC)OC)C=O

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)C2=C(C=CC(=C2OC)OC)C=O

InChI

InChI=1S/C21H23NO6S/c1-22(11-14-5-8-16(29-4)9-6-14)18(24)13-28-21(25)19-15(12-23)7-10-17(26-2)20(19)27-3/h5-10,12H,11,13H2,1-4H3